(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol

C11H15Cl2NO — CID 93082097

IUPAC(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@@H](C)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7(15)6-14-8(2)10-5-9(12)3-4-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyMGYGFQOASFZFCW-SFYZADRCSA-N
MW248.15 g/mol
LogP3.02
Rot. Bonds4

About (2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol

(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol (PubChem CID 93082097) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is (2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
PubChem CID93082097
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@@H](C)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7(15)6-14-8(2)10-5-9(12)3-4-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyMGYGFQOASFZFCW-SFYZADRCSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284802
(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
CID 103906405
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
CID 81355780
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
CID 60980063
1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol
CID 61473675
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 113493904

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol (CID 93082097) is (2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol is C[C@H](NC[C@@H](C)O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol?
The InChIKey is MGYGFQOASFZFCW-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-7(15)6-14-8(2)10-5-9(12)3-4-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol?
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol has a molecular weight of 248.15 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 93082097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).